SCHEMBL7986949

SCHEMBL7986949

N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3cccc4ccccc34)CC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.58
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
TSHR P16473 1/20 0.45
F2 P00734 2/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7999914 0.90 F10 (0.63) F10F2ESR1ESR2
SCHEMBL8003156 0.84 F10 (0.61) F10MEN1KMT2AF2
Hydrochloric Acid SCHEMBL6896958 0.83 F10 (0.61) F10MEN1KMT2AF2
SCHEMBL7986862 0.82 F10 (0.57) F10TSHRF2
SCHEMBL7996090 0.82 F10 (0.57) F10F2
SCHEMBL1652910 0.81 F10 (0.80) F10F2
SCHEMBL7996212 0.81 F10 (0.62) F10MEN1KMT2AF2
SCHEMBL1651276 0.80 F10 (0.59) F10
SCHEMBL7074867 0.78 TGM2 (0.55) F10MEN1KMT2ATSHRF2
SCHEMBL7999726 0.78 FNTA (0.43) F10MEN1KMT2AFNTAFNTB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed